SIMILAR PATTERNS OF AMINO ACIDS FOR 6EXI_C_ADNC502_0

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1tj7 ARGININOSUCCINATE
LYASE

(Escherichia
coli) 		PF00206
(Lyase_1)
PF14698
(ASL_C2) 		5 LEU A 103
HIS A 104
ASP A  33
LEU A   3
HIS A  85
 None
 1.43A 6exiC-1tj7A:
undetectable		 6exiC-1tj7A:
12.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1v8b ADENOSYLHOMOCYSTEINA
SE

(Plasmodium
falciparum) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		8 LEU A  53
HIS A  54
THR A  56
ASP A 234
ASN A 391
LEU A 392
HIS A 398
MET A 403
 None
ADN  A 502 (-4.1A)
ADN  A 502 (-3.0A)
ADN  A 502 (-2.8A)
NAD  A 501 (-3.0A)
ADN  A 502 ( 4.9A)
ADN  A 502 ( 3.5A)
ADN  A 502 (-3.6A)
 0.31A 6exiC-1v8bA:
55.8		 6exiC-1v8bA:
11.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gj4 GLYCOGEN
PHOSPHORYLASE,
MUSCLE FORM

(Oryctolagus
cuniculus) 		PF00343
(Phosphorylase) 		5 THR A 671
THR A 668
ASN A 284
LEU A 380
HIS A 571
 None
 1.15A 6exiC-2gj4A:
4.9		 6exiC-2gj4A:
7.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2hxv DIAMINOHYDROXYPHOSPH
ORIBOSYLAMINOPYRIMID
INE DEAMINASE/
5-AMINO-6-(5-PHOSPHO
RIBOSYLAMINO)URACIL
REDUCTASE

(Thermotoga
maritima) 		PF00383
(dCMP_cyt_deam_1)
PF01872
(RibD_C) 		5 HIS A  49
ASP A 104
ASN A 106
HIS A  79
ASN A  23
 ZN  A 500 (-3.2A)
None
None
None
None
 1.34A 6exiC-2hxvA:
undetectable		 6exiC-2hxvA:
16.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2nux 2-KETO-3-DEOXYGLUCON
ATE/2-KETO-3-DEOXY-6
-PHOSPHO GLUCONATE
ALDOLASE

(Sulfolobus
acidocaldarius) 		PF00701
(DHDPS) 		5 LEU A  68
THR A  65
ASN A 198
LEU A  22
HIS A  25
 None
 1.33A 6exiC-2nuxA:
undetectable		 6exiC-2nuxA:
16.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xhg TYROCIDINE
SYNTHETASE A

(Brevibacillus
brevis) 		PF00668
(Condensation) 		5 GLN A  39
THR A 392
ASN A 412
ASN A 368
LEU A 370
 None
None
None
NA  A1469 ( 4.9A)
None
 1.49A 6exiC-2xhgA:
undetectable		 6exiC-2xhgA:
11.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ce6 ADENOSYLHOMOCYSTEINA
SE

(Mycobacterium
tuberculosis) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		6 LEU A  68
GLN A  73
THR A  74
ASP A 252
ASN A 253
MET A 421
 None
ADN  A 500 (-3.6A)
ADN  A 500 (-4.5A)
ADN  A 500 (-2.7A)
NAD  A 550 (-3.5A)
ADN  A 500 (-3.7A)
 0.83A 6exiC-3ce6A:
56.8		 6exiC-3ce6A:
60.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ce6 ADENOSYLHOMOCYSTEINA
SE

(Mycobacterium
tuberculosis) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		10 LEU A  68
HIS A  69
THR A  71
GLN A  73
THR A  74
ASP A 252
ASN A 409
LEU A 410
HIS A 416
MET A 421
 None
ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-3.6A)
ADN  A 500 (-4.5A)
ADN  A 500 (-2.7A)
NAD  A 550 (-3.0A)
ADN  A 500 ( 4.8A)
ADN  A 500 ( 3.6A)
ADN  A 500 (-3.7A)
 0.27A 6exiC-3ce6A:
56.8		 6exiC-3ce6A:
60.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ce6 ADENOSYLHOMOCYSTEINA
SE

(Mycobacterium
tuberculosis) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		7 LEU A  68
HIS A  69
THR A  71
GLN A  73
THR A  74
HIS A 363
LEU A 410
 None
ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-3.6A)
ADN  A 500 (-4.5A)
ADN  A 500 ( 3.7A)
ADN  A 500 ( 4.8A)
 0.99A 6exiC-3ce6A:
56.8		 6exiC-3ce6A:
60.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3d6n DIHYDROOROTASE

(Aquifex
aeolicus) 		PF01979
(Amidohydro_1) 		5 THR A 124
ASP A 305
HIS A 180
ASN A  95
HIS A  63
 None
FLC  A 424 ( 2.7A)
FLC  A 424 (-4.0A)
FLC  A 424 (-3.6A)
ZN  A 423 ( 3.4A)
 1.27A 6exiC-3d6nA:
undetectable		 6exiC-3d6nA:
15.70
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3g1u ADENOSYLHOMOCYSTEINA
SE

(Leishmania
major) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 HIS A  52
THR A  54
ASN A 190
LEU A 343
HIS A 352
 ADN  A 438 (-4.0A)
ADN  A 438 (-2.8A)
NAD  A 439 (-3.2A)
NAD  A 439 ( 4.0A)
ADN  A 438 ( 3.6A)
 1.38A 6exiC-3g1uA:
54.1		 6exiC-3g1uA:
71.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3g1u ADENOSYLHOMOCYSTEINA
SE

(Leishmania
major) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		10 LEU A  51
HIS A  52
THR A  54
GLN A  56
THR A  57
ASN A 190
ASN A 345
LEU A 346
HIS A 352
MET A 357
 None
ADN  A 438 (-4.0A)
ADN  A 438 (-2.8A)
ADN  A 438 (-3.8A)
ADN  A 438 (-4.6A)
NAD  A 439 (-3.2A)
NAD  A 439 (-3.1A)
ADN  A 438 ( 4.8A)
ADN  A 438 ( 3.6A)
ADN  A 438 (-3.7A)
 0.51A 6exiC-3g1uA:
54.1		 6exiC-3g1uA:
71.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3g1u ADENOSYLHOMOCYSTEINA
SE

(Leishmania
major) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		7 LEU A  51
HIS A  52
THR A  54
GLN A  56
THR A  57
HIS A 300
LEU A 346
 None
ADN  A 438 (-4.0A)
ADN  A 438 (-2.8A)
ADN  A 438 (-3.8A)
ADN  A 438 (-4.6A)
ADN  A 438 ( 4.0A)
ADN  A 438 ( 4.8A)
 1.02A 6exiC-3g1uA:
54.1		 6exiC-3g1uA:
71.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3glq ADENOSYLHOMOCYSTEINA
SE

(Burkholderia
pseudomallei) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 HIS A  62
THR A  64
ASP A 233
ASN A 234
LEU A 385
 RAB  A 602 (-3.8A)
RAB  A 602 (-2.7A)
RAB  A 602 (-2.5A)
NAD  A 601 (-3.5A)
NAD  A 601 ( 4.1A)
 1.24A 6exiC-3glqA:
60.3		 6exiC-3glqA:
61.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3glq ADENOSYLHOMOCYSTEINA
SE

(Burkholderia
pseudomallei) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 LEU A  61
HIS A  62
ASP A 233
ASN A 234
LEU A 385
 None
RAB  A 602 (-3.8A)
RAB  A 602 (-2.5A)
NAD  A 601 (-3.5A)
NAD  A 601 ( 4.1A)
 1.32A 6exiC-3glqA:
60.3		 6exiC-3glqA:
61.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3glq ADENOSYLHOMOCYSTEINA
SE

(Burkholderia
pseudomallei) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		8 LEU A  61
HIS A  62
THR A  64
GLN A  66
THR A  67
ASP A 233
ASN A 234
MET A 399
 None
RAB  A 602 (-3.8A)
RAB  A 602 (-2.7A)
RAB  A 602 (-3.9A)
RAB  A 602 (-4.5A)
RAB  A 602 (-2.5A)
NAD  A 601 (-3.5A)
RAB  A 602 (-3.6A)
 0.80A 6exiC-3glqA:
60.3		 6exiC-3glqA:
61.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3glq ADENOSYLHOMOCYSTEINA
SE

(Burkholderia
pseudomallei) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		10 LEU A  61
HIS A  62
THR A  64
GLN A  66
THR A  67
ASP A 233
ASN A 387
LEU A 388
HIS A 394
MET A 399
 None
RAB  A 602 (-3.8A)
RAB  A 602 (-2.7A)
RAB  A 602 (-3.9A)
RAB  A 602 (-4.5A)
RAB  A 602 (-2.5A)
NAD  A 601 (-3.0A)
RAB  A 602 ( 4.7A)
NAD  A 601 ( 3.6A)
RAB  A 602 (-3.6A)
 0.28A 6exiC-3glqA:
60.3		 6exiC-3glqA:
61.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3glq ADENOSYLHOMOCYSTEINA
SE

(Burkholderia
pseudomallei) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		7 LEU A  61
HIS A  62
THR A  64
GLN A  66
THR A  67
HIS A 344
LEU A 388
 None
RAB  A 602 (-3.8A)
RAB  A 602 (-2.7A)
RAB  A 602 (-3.9A)
RAB  A 602 (-4.5A)
RAB  A 602 ( 3.5A)
RAB  A 602 ( 4.7A)
 0.98A 6exiC-3glqA:
60.3		 6exiC-3glqA:
61.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3h9u ADENOSYLHOMOCYSTEINA
SE

(Trypanosoma
brucei) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		10 LEU A  51
HIS A  52
THR A  54
GLN A  56
THR A  57
ASP A 189
ASN A 345
LEU A 346
HIS A 352
MET A 357
 None
ADN  A 439 ( 4.7A)
ADN  A 439 (-2.7A)
ADN  A 439 (-3.6A)
ADN  A 439 (-4.7A)
NAD  A 438 ( 4.4A)
NAD  A 438 (-2.9A)
ADN  A 439 ( 4.7A)
ADN  A 439 ( 3.3A)
ADN  A 439 ( 3.7A)
 0.30A 6exiC-3h9uA:
56.4		 6exiC-3h9uA:
13.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3h9u ADENOSYLHOMOCYSTEINA
SE

(Trypanosoma
brucei) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		7 LEU A  51
HIS A  52
THR A  54
GLN A  56
THR A  57
HIS A 300
LEU A 346
 None
ADN  A 439 ( 4.7A)
ADN  A 439 (-2.7A)
ADN  A 439 (-3.6A)
ADN  A 439 (-4.7A)
None
ADN  A 439 ( 4.7A)
 1.02A 6exiC-3h9uA:
56.4		 6exiC-3h9uA:
13.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3h9u ADENOSYLHOMOCYSTEINA
SE

(Trypanosoma
brucei) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		7 LEU A  51
THR A  54
GLN A  56
THR A  57
ASP A 189
ASN A 190
MET A 357
 None
ADN  A 439 (-2.7A)
ADN  A 439 (-3.6A)
ADN  A 439 (-4.7A)
NAD  A 438 ( 4.4A)
NAD  A 438 (-3.4A)
ADN  A 439 ( 3.7A)
 0.83A 6exiC-3h9uA:
56.4		 6exiC-3h9uA:
13.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hdi PROCESSING PROTEASE

(Bacillus
halodurans) 		PF00675
(Peptidase_M16)
PF05193
(Peptidase_M16_C) 		5 LEU A 269
THR A 318
GLN A 315
THR A 317
LEU A 239
 None
 1.46A 6exiC-3hdiA:
undetectable		 6exiC-3hdiA:
12.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3n58 ADENOSYLHOMOCYSTEINA
SE

(Brucella
abortus) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		6 LEU A  54
GLN A  59
THR A  60
ASP A 226
ASN A 227
MET A 392
 None
K  A   2 ( 3.3A)
ADN  A 500 (-4.6A)
ADN  A 500 ( 2.6A)
NAD  A 550 (-3.6A)
ADN  A 500 (-3.7A)
 0.91A 6exiC-3n58A:
32.3		 6exiC-3n58A:
14.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3n58 ADENOSYLHOMOCYSTEINA
SE

(Brucella
abortus) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		10 LEU A  54
HIS A  55
THR A  57
GLN A  59
THR A  60
ASP A 226
ASN A 380
LEU A 381
HIS A 387
MET A 392
 None
ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
K  A   2 ( 3.3A)
ADN  A 500 (-4.6A)
ADN  A 500 ( 2.6A)
NAD  A 550 (-3.0A)
ADN  A 500 ( 4.8A)
ADN  A 500 (-3.4A)
ADN  A 500 (-3.7A)
 0.26A 6exiC-3n58A:
32.3		 6exiC-3n58A:
14.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3n58 ADENOSYLHOMOCYSTEINA
SE

(Brucella
abortus) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		7 LEU A  54
HIS A  55
THR A  57
GLN A  59
THR A  60
HIS A 337
LEU A 381
 None
ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
K  A   2 ( 3.3A)
ADN  A 500 (-4.6A)
ADN  A 500 ( 3.6A)
ADN  A 500 ( 4.8A)
 1.00A 6exiC-3n58A:
32.3		 6exiC-3n58A:
14.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3one ADENOSYLHOMOCYSTEINA
SE

(Lupinus luteus) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 HIS A  62
THR A  64
ASP A 239
ASN A 240
LEU A 395
 ADE  A 506 (-4.6A)
ADE  A 506 (-2.8A)
NAD  A 501 ( 4.5A)
NAD  A 501 (-3.5A)
NAD  A 501 (-4.2A)
 1.26A 6exiC-3oneA:
56.5		 6exiC-3oneA:
64.20
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3one ADENOSYLHOMOCYSTEINA
SE

(Lupinus luteus) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		8 LEU A  61
HIS A  62
THR A  64
GLN A  66
THR A  67
ASP A 239
ASN A 240
MET A 409
 None
ADE  A 506 (-4.6A)
ADE  A 506 (-2.8A)
ADE  A 506 (-3.8A)
ADE  A 506 (-4.5A)
NAD  A 501 ( 4.5A)
NAD  A 501 (-3.5A)
ADE  A 506 (-3.8A)
 0.93A 6exiC-3oneA:
56.5		 6exiC-3oneA:
64.20
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3one ADENOSYLHOMOCYSTEINA
SE

(Lupinus luteus) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		10 LEU A  61
HIS A  62
THR A  64
GLN A  66
THR A  67
ASP A 239
ASN A 397
LEU A 398
HIS A 404
MET A 409
 None
ADE  A 506 (-4.6A)
ADE  A 506 (-2.8A)
ADE  A 506 (-3.8A)
ADE  A 506 (-4.5A)
NAD  A 501 ( 4.5A)
NAD  A 501 (-3.0A)
ADE  A 506 ( 4.7A)
ADE  A 506 (-3.4A)
ADE  A 506 (-3.8A)
 0.53A 6exiC-3oneA:
56.5		 6exiC-3oneA:
64.20
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3one ADENOSYLHOMOCYSTEINA
SE

(Lupinus luteus) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		7 LEU A  61
HIS A  62
THR A  64
GLN A  66
THR A  67
HIS A 350
LEU A 398
 None
ADE  A 506 (-4.6A)
ADE  A 506 (-2.8A)
ADE  A 506 (-3.8A)
ADE  A 506 (-4.5A)
None
ADE  A 506 ( 4.7A)
 1.18A 6exiC-3oneA:
56.5		 6exiC-3oneA:
64.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4dwq TRNA-SPLICING LIGASE
RTCB

(Pyrococcus
horikoshii) 		PF01139
(RtcB) 		5 HIS A  67
GLN A  46
THR A  43
ASN A 330
HIS A 404
 POP  A 509 (-3.7A)
None
None
MLI  A 503 (-4.1A)
5GP  A 501 (-3.0A)
 1.49A 6exiC-4dwqA:
undetectable		 6exiC-4dwqA:
11.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4f7k LACCASE

(uncultured
bacterium) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 HIS A 378
GLN A 100
THR A  99
HIS A 421
HIS A 126
 None
 1.41A 6exiC-4f7kA:
undetectable		 6exiC-4f7kA:
12.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4j7b POLO-LIKE KINASE

(Danio rerio) 		PF00069
(Pkinase) 		5 LEU A 223
THR A 146
ASN A 167
LEU A 168
HIS A 160
 None
 1.32A 6exiC-4j7bA:
undetectable		 6exiC-4j7bA:
16.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4lvc S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE
(SAHASE)

(Bradyrhizobium
elkanii) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		6 LEU A  57
GLN A  62
THR A  63
ASP A 231
ASN A 232
MET A 397
 None
NH4  A 502 ( 3.1A)
ADN  A 501 (-4.5A)
ADN  A 501 (-3.1A)
NAD  A 503 (-3.6A)
ADN  A 501 (-3.7A)
 0.90A 6exiC-4lvcA:
64.4		 6exiC-4lvcA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4lvc S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE
(SAHASE)

(Bradyrhizobium
elkanii) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		10 LEU A  57
HIS A  58
THR A  60
GLN A  62
THR A  63
ASP A 231
ASN A 385
LEU A 386
HIS A 392
MET A 397
 None
ADN  A 501 (-4.0A)
ADN  A 501 (-2.8A)
NH4  A 502 ( 3.1A)
ADN  A 501 (-4.5A)
ADN  A 501 (-3.1A)
NAD  A 503 (-3.1A)
ADN  A 501 ( 4.7A)
ADN  A 501 (-3.5A)
ADN  A 501 (-3.7A)
 0.29A 6exiC-4lvcA:
64.4		 6exiC-4lvcA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4lvc S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE
(SAHASE)

(Bradyrhizobium
elkanii) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		7 LEU A  57
HIS A  58
THR A  60
GLN A  62
THR A  63
HIS A 342
LEU A 386
 None
ADN  A 501 (-4.0A)
ADN  A 501 (-2.8A)
NH4  A 502 ( 3.1A)
ADN  A 501 (-4.5A)
ADN  A 501 ( 3.7A)
ADN  A 501 ( 4.7A)
 1.02A 6exiC-4lvcA:
64.4		 6exiC-4lvcA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zmh UNCHARACTERIZED
PROTEIN

(Saccharophagus
degradans) 		PF15979
(Glyco_hydro_115) 		5 LEU A 399
HIS A 282
ASP A 402
ASN A 404
HIS A 428
 None
None
None
ACT  A1007 (-3.6A)
PO4  A1001 (-3.9A)
 1.39A 6exiC-4zmhA:
undetectable		 6exiC-4zmhA:
6.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5uq6 TARTRATE-RESISTANT
ACID PHOSPHATASE
TYPE 5

(Sus scrofa) 		PF00149
(Metallophos) 		5 HIS A 195
THR A 198
ASP A  14
ASN A  91
HIS A 186
 PO4  A 404 (-3.8A)
None
FE  A 402 ( 3.1A)
PO4  A 404 ( 2.6A)
FE  A 403 ( 3.4A)
 1.27A 6exiC-5uq6A:
undetectable		 6exiC-5uq6A:
15.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5uq6 TARTRATE-RESISTANT
ACID PHOSPHATASE
TYPE 5

(Sus scrofa) 		PF00149
(Metallophos) 		5 HIS A 195
THR A 198
HIS A 223
ASN A  91
HIS A 186
 PO4  A 404 (-3.8A)
None
FE  A 402 (-3.4A)
PO4  A 404 ( 2.6A)
FE  A 403 ( 3.4A)
 1.38A 6exiC-5uq6A:
undetectable		 6exiC-5uq6A:
15.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5utu ADENOSYLHOMOCYSTEINA
SE

(Cryptosporidium
parvum) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		9 LEU A  52
HIS A  53
THR A  55
THR A  58
ASP A 245
ASN A 403
LEU A 404
HIS A 410
MET A 415
 None
SAH  A 502 (-4.0A)
SAH  A 502 (-2.7A)
SAH  A 502 (-4.2A)
SAH  A 502 (-2.8A)
NAD  A 501 (-2.9A)
SAH  A 502 ( 4.7A)
SAH  A 502 ( 3.5A)
SAH  A 502 (-3.6A)
 0.32A 6exiC-5utuA:
53.6		 6exiC-5utuA:
9.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5utu ADENOSYLHOMOCYSTEINA
SE

(Cryptosporidium
parvum) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 LEU A  52
THR A  58
ASP A 245
ASN A 246
MET A 415
 None
SAH  A 502 (-4.2A)
SAH  A 502 (-2.8A)
NAD  A 501 (-3.5A)
SAH  A 502 (-3.6A)
 0.87A 6exiC-5utuA:
53.6		 6exiC-5utuA:
9.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5v96 S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE

(Naegleria
fowleri) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		9 LEU A  58
HIS A  59
THR A  61
THR A  64
ASP A 231
ASN A 388
LEU A 389
HIS A 395
MET A 400
 None
ADN  A 502 ( 3.9A)
ADN  A 502 (-2.9A)
ADN  A 502 (-4.4A)
ADN  A 502 (-2.8A)
NAD  A 501 (-3.1A)
ADN  A 502 ( 4.7A)
ADN  A 502 ( 3.4A)
ADN  A 502 (-3.8A)
 0.26A 6exiC-5v96A:
58.0		 6exiC-5v96A:
13.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5v96 S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE

(Naegleria
fowleri) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 LEU A  58
THR A  64
ASP A 231
ASN A 232
MET A 400
 None
ADN  A 502 (-4.4A)
ADN  A 502 (-2.8A)
NAD  A 501 (-3.5A)
ADN  A 502 (-3.8A)
 0.83A 6exiC-5v96A:
58.0		 6exiC-5v96A:
13.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vbl APELIN
RECEPTOR,RUBREDOXIN,
APELIN RECEPTOR
CHIMERA

(Clostridium
pasteurianum;
Homo sapiens) 		PF00001
(7tm_1)
PF00301
(Rubredoxin) 		5 LEU B 120
THR B 256
ASP B  75
ASN B  46
LEU B 308
 None
 1.23A 6exiC-5vblB:
undetectable		 6exiC-5vblB:
13.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5w4b ADENOSYLHOMOCYSTEINA
SE

(Homo sapiens) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 LEU A  54
HIS A  55
THR A  57
THR A  60
ASP A 190
 None
9W4  A 502 (-3.7A)
9W4  A 502 (-2.9A)
None
NAD  A 501 (-4.1A)
 0.55A 6exiC-5w4bA:
48.4		 6exiC-5w4bA:
12.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5w4b ADENOSYLHOMOCYSTEINA
SE

(Homo sapiens) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 LEU A  54
HIS A  55
THR A  57
THR A  60
MET A 358
 None
9W4  A 502 (-3.7A)
9W4  A 502 (-2.9A)
None
9W4  A 502 (-3.6A)
 0.17A 6exiC-5w4bA:
48.4		 6exiC-5w4bA:
12.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6aph ADENOSYLHOMOCYSTEINA
SE

(Elizabethkingia
anophelis) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		7 LEU A  57
HIS A  58
GLN A  62
THR A  63
ASP A 195
ASN A 196
MET A 363
 None
ADN  A 501 (-3.9A)
ADN  A 501 (-3.8A)
ADN  A 501 (-4.5A)
ADN  A 501 (-2.7A)
NAD  A 500 (-3.5A)
ADN  A 501 (-3.7A)
 0.85A 6exiC-6aphA:
29.4		 6exiC-6aphA:
69.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6aph ADENOSYLHOMOCYSTEINA
SE

(Elizabethkingia
anophelis) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		10 LEU A  57
HIS A  58
THR A  60
GLN A  62
THR A  63
ASP A 195
ASN A 351
LEU A 352
HIS A 358
MET A 363
 None
ADN  A 501 (-3.9A)
ADN  A 501 (-2.8A)
ADN  A 501 (-3.8A)
ADN  A 501 (-4.5A)
ADN  A 501 (-2.7A)
NAD  A 500 (-3.1A)
ADN  A 501 ( 4.8A)
ADN  A 501 ( 3.5A)
ADN  A 501 (-3.7A)
 0.24A 6exiC-6aphA:
29.4		 6exiC-6aphA:
69.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6aph ADENOSYLHOMOCYSTEINA
SE

(Elizabethkingia
anophelis) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		7 LEU A  57
HIS A  58
THR A  60
GLN A  62
THR A  63
HIS A 306
LEU A 352
 None
ADN  A 501 (-3.9A)
ADN  A 501 (-2.8A)
ADN  A 501 (-3.8A)
ADN  A 501 (-4.5A)
ADN  A 501 ( 3.7A)
ADN  A 501 ( 4.8A)
 1.02A 6exiC-6aphA:
29.4		 6exiC-6aphA:
69.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6f3m -

(-) 		no annotation 7 HIS B  61
THR B  63
GLN B  65
THR B  66
ASP B 198
ASN B 199
MET B 387
 ADN  B 502 ( 4.0A)
ADN  B 502 (-2.8A)
K  B 504 ( 3.0A)
ADN  B 502 (-4.6A)
ADN  B 502 (-2.7A)
NAD  B 501 (-3.5A)
ADN  B 502 (-3.7A)
 0.87A 6exiC-6f3mB:
52.4		 6exiC-6f3mB:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6f3m -

(-) 		no annotation 9 HIS B  61
THR B  63
GLN B  65
THR B  66
ASP B 198
ASN B 375
LEU B 376
HIS B 382
MET B 387
 ADN  B 502 ( 4.0A)
ADN  B 502 (-2.8A)
K  B 504 ( 3.0A)
ADN  B 502 (-4.6A)
ADN  B 502 (-2.7A)
NAD  B 501 (-3.0A)
ADN  B 502 ( 4.8A)
ADN  B 502 (-3.4A)
ADN  B 502 (-3.7A)
 0.29A 6exiC-6f3mB:
52.4		 6exiC-6f3mB:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6f3m -

(-) 		no annotation 6 HIS B  61
THR B  63
GLN B  65
THR B  66
HIS B 323
LEU B 376
 ADN  B 502 ( 4.0A)
ADN  B 502 (-2.8A)
K  B 504 ( 3.0A)
ADN  B 502 (-4.6A)
ZN  B 505 (-3.2A)
ADN  B 502 ( 4.8A)
 0.97A 6exiC-6f3mB:
52.4		 6exiC-6f3mB:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6g2j NADH-UBIQUINONE
OXIDOREDUCTASE CHAIN
4

(Mus musculus) 		no annotation 5 THR M 414
GLN M 415
THR M 413
ASN M 366
LEU M 282
 None
 1.40A 6exiC-6g2jM:
undetectable		 6exiC-6g2jM:
21.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6gbn -

(-) 		no annotation 10 LEU A  55
HIS A  56
THR A  58
GLN A  60
THR A  61
ASP A 193
ASN A 349
LEU A 350
HIS A 356
MET A 361
 None
ADN  A 501 (-3.9A)
ADN  A 501 (-2.8A)
NA  A 503 ( 3.2A)
ADN  A 501 (-4.6A)
ADN  A 501 (-2.7A)
NAD  A 502 (-3.1A)
ADN  A 501 ( 4.7A)
ADN  A 501 (-3.4A)
ADN  A 501 (-3.6A)
 0.21A 6exiC-6gbnA:
30.6		 6exiC-6gbnA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6gbn -

(-) 		no annotation 7 LEU A  55
HIS A  56
THR A  58
GLN A  60
THR A  61
HIS A 304
LEU A 350
 None
ADN  A 501 (-3.9A)
ADN  A 501 (-2.8A)
NA  A 503 ( 3.2A)
ADN  A 501 (-4.6A)
ADN  A 501 ( 3.6A)
ADN  A 501 ( 4.7A)
 1.00A 6exiC-6gbnA:
30.6		 6exiC-6gbnA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6gbn -

(-) 		no annotation 5 LEU A  55
THR A  61
ASP A 193
ASN A 194
MET A 361
 None
ADN  A 501 (-4.6A)
ADN  A 501 (-2.7A)
NAD  A 502 (-3.5A)
ADN  A 501 (-3.6A)
 0.83A 6exiC-6gbnA:
30.6		 6exiC-6gbnA:
undetectable